4-Fluoroindole-2-carboxylic acid
Properties
- Molecular formula
- C9H6FNO2
- Molar mass
- 179.15 g/mol
- Exact mass
- 179.0383 Da
- Melting point
- 219–220 °C (decomposes)
- logP
- 2.01Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
399-68-8SMILES
O=C(O)c1cc2c(F)cccc2[nH]1InChIKey
KBWWCYDFHITBFO-UHFFFAOYSA-NInChI
InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 4-Fluoro-1H-indole-2-carboxylic acid
- 1H-Indole-2-carboxylic acid, 4-fluoro-
- Indole-2-carboxylic acid, 4-fluoro-
Work with 4-Fluoroindole-2-carboxylic acid
Similar compounds
4-Methyl-1H-indole-2-carboxylic acid18474-57-264 % similar
4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-564 % similar
4-Methoxy-1H-indole-2-carboxylic acid103260-65-760 % similar
5-Chloro-4-fluoro-1H-indole-2-carboxylic acid186446-26-460 % similar
1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-757 % similar
Kynurenic acid492-27-357 % similar
5,6-Difluoroindole-2-carboxylic acid169674-35-556 % similar
Indole-2-carboxylic acid1477-50-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds